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	hartrees
Energy at 0K	-614.154131
Energy at 298.15K	-614.159955
HF Energy	-614.035427
Nuclear repulsion energy	155.483958

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3670	3670	9.15
2	A'	3171	3171	9.33
3	A'	3062	3062	28.02
4	A'	1588	1588	1.63
5	A'	1549	1549	5.34
6	A'	1478	1478	1.86
7	A'	1325	1325	3.62
8	A'	1251	1251	46.65
9	A'	1047	1047	20.70
10	A'	1000	1000	69.98
11	A'	707	707	86.36
12	A'	371	371	1.90
13	A'	244	244	14.02
14	A"	3251	3251	6.10
15	A"	3112	3112	42.27
16	A"	1339	1339	0.19
17	A"	1213	1213	0.97
18	A"	1069	1069	2.00
19	A"	834	834	0.33
20	A"	224	224	178.54
21	A"	119	119	22.89

Atom	x (Å)	y (Å)	z (Å)
C1	1.019	-0.502	0.000
C2	0.000	0.622	0.000
Cl3	-1.740	-0.113	0.000
O4	2.310	0.182	0.000
H5	0.896	-1.128	0.891
H6	0.896	-1.128	-0.891
H7	0.073	1.234	0.895
H8	0.073	1.234	-0.895
H9	3.043	-0.462	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5168	2.7855	1.4609	1.0960	1.0960	2.1702	2.1702	2.0248
C2	1.5168		1.8886	2.3514	2.1587	2.1587	1.0870	1.0870	3.2307
Cl3	2.7855	1.8886		4.0602	2.9614	2.9614	2.4294	2.4294	4.7955
O4	1.4609	2.3514	4.0602		2.1233	2.1233	2.6294	2.6294	0.9763
H5	1.0960	2.1587	2.9614	2.1233		1.7817	2.5018	3.0739	2.4180
H6	1.0960	2.1587	2.9614	2.1233	1.7817		3.0739	2.5018	2.4180
H7	2.1702	1.0870	2.4294	2.6294	2.5018	3.0739		1.7905	3.5362
H8	2.1702	1.0870	2.4294	2.6294	3.0739	2.5018	1.7905		3.5362
H9	2.0248	3.2307	4.7955	0.9763	2.4180	2.4180	3.5362	3.5362

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.276	C1	C2	H7	111.860
C1	C2	H8	111.860	C1	O4	H9	110.790
C2	C1	O4	104.294	C2	C1	H5	110.387
C2	C1	H6	110.387	Cl3	C2	H7	106.314
Cl3	C2	H8	106.314	O4	C1	H5	111.490
O4	C1	H6	111.490	H5	C1	H6	108.753
H7	C2	H8	110.897

All results from a given calculation for CH₂ClCH₂OH (2-Chloroethanol)

using model chemistry: B2PLYP=FULL/6-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH2ClCH2OH (2-Chloroethanol)

using model chemistry: B2PLYP=FULL/6-31G

States and conformations

All results from a given calculation for CH₂ClCH₂OH (2-Chloroethanol)